Molecule

ID:51293

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₄
Molecular Mass
187.19312
Exact Mass
187.0844579
Charge
0
InChI
InChI=1S/C8H13NO4/c1-2-13-8(12)9-5-3-4-6(9)7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKey
IJDOTHRWLOAOAC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCCC1C(=O)O
Isomeric Smiles
N1(C(=O)OCC)C(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
3.8016672
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2116854
LogD (pH = 7.4)
-2.7727163
Log P
0.48889995
Molar Refractivity
44.0024
Polarizability
17.295618
Polar Surface Area
66.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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